Geometry & MOs

Info

ID:	288712
PubChem CID:	104324182
Reduced:	NOSC11H21 (1)
Stoich.:	ABCD11E21 (1)
Weight, g/mol:	313.00892
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	3.33
IP(EA), eV:	-8.57(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCSCCN1CC2CCC(C2C1)O

DOS

IR

Vibrations